ChemSpider 2D Image | MFCD03417933 | C30H32N2O7S

MFCD03417933

  • Molecular FormulaC30H32N2O7S
  • Average mass564.649 Da
  • Monoisotopic mass564.192993 Da
  • ChemSpider ID4865389

  • Double-bond stereo - Double-bond stereo

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2E)-5-(4-Acétoxy-3-méthoxyphényl)-2-(4-éthoxybenzylidène)-7-méthyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate d'isobutyle [French] [ACD/IUPAC Name]
5H-Thiazolo[3,2-a]pyrimidine-6-carboxylic acid, 5-[4-(acetyloxy)-3-methoxyphenyl]-2-[(4-ethoxyphenyl)methylene]-2,3-dihydro-7-methyl-3-oxo-, 2-methylpropyl ester, (2E)- [ACD/Index Name]
Isobutyl (2E)-5-(4-acetoxy-3-methoxyphenyl)-2-(4-ethoxybenzylidene)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate [ACD/IUPAC Name]
isobutyl (2E)-5-[4-(acetyloxy)-3-methoxyphenyl]-2-(4-ethoxybenzylidene)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Isobutyl-(2E)-5-(4-acetoxy-3-methoxyphenyl)-2-(4-ethoxybenzyliden)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-6-carboxylat [German] [ACD/IUPAC Name]
MFCD03417933
(E)-isobutyl 5-(4-acetoxy-3-methoxyphenyl)-2-(4-ethoxybenzylidene)-7-methyl-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate
2-methylpropyl (2E)-5-[4-(acetyloxy)-3-methoxyphenyl]-2-(4-ethoxybenzylidene)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
2-methylpropyl (2E)-5-[4-(acetyloxy)-3-methoxyphenyl]-2-[(4-ethoxyphenyl)methylidene]-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
4-{2-[(4-ethoxyphenyl)methylene]-7-methyl-6-[(2-methylpropyl)oxycarbonyl]-3-oxo(4,5-dihydro-1,3-thiazolidino[3,2-a]pyrimidin-5-yl)}-2-methoxyphenyl acetate

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 661.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.4±3.0 kJ/mol
Flash Point: 354.1±34.3 °C
Index of Refraction: 1.604
Molar Refractivity: 152.4±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 6.06
ACD/LogD (pH 5.5): 4.94
ACD/BCF (pH 5.5): 3338.07
ACD/KOC (pH 5.5): 11580.11
ACD/LogD (pH 7.4): 4.94
ACD/BCF (pH 7.4): 3338.07
ACD/KOC (pH 7.4): 11580.11
Polar Surface Area: 129 Å2
Polarizability: 60.4±0.5 10-24cm3
Surface Tension: 44.6±7.0 dyne/cm
Molar Volume: 443.3±7.0 cm3

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